2-[3-(1,1-difluoroethyl)phenyl]morpholine

C12H15F2NO — CID 117326793

IUPAC2-[3-(1,1-difluoroethyl)phenyl]morpholine
SMILESCC(F)(F)c1cccc(C2CNCCO2)c1
InChIInChI=1S/C12H15F2NO/c1-12(13,14)10-4-2-3-9(7-10)11-8-15-5-6-16-11/h2-4,7,11,15H,5-6,8H2,1H3
InChIKeyIBWBUGNMMVWNBB-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.46
Rot. Bonds2

About 2-[3-(1,1-difluoroethyl)phenyl]morpholine

2-[3-(1,1-difluoroethyl)phenyl]morpholine (PubChem CID 117326793) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 2-[3-(1,1-difluoroethyl)phenyl]morpholine.

Molecular Properties

Compound Name2-[3-(1,1-difluoroethyl)phenyl]morpholine
PubChem CID117326793
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name2-[3-(1,1-difluoroethyl)phenyl]morpholine
SMILESCC(F)(F)c1cccc(C2CNCCO2)c1
InChIInChI=1S/C12H15F2NO/c1-12(13,14)10-4-2-3-9(7-10)11-8-15-5-6-16-11/h2-4,7,11,15H,5-6,8H2,1H3
InChIKeyIBWBUGNMMVWNBB-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(trifluoromethyl)phenyl]-1,4-oxazepane
CID 43498386
2-[2-chloro-4-(1,1-difluoroethyl)phenyl]morpholine
CID 117409073
(2R)-2-(3-methylphenyl)morpholine
CID 42182782
2-(3-methylphenyl)morpholine;hydrochloride
CID 71398912
(2S)-2-(3-bromophenyl)morpholine
CID 28806253
3-[(2R)-morpholin-2-yl]benzoic acid
CID 169449190
2-[4-(trifluoromethyl)phenyl]morpholine
CID 3756313
2-[3-(4,4-dimethylcyclohexyl)phenyl]morpholine
CID 117436588
azane;2-phenylmorpholine
CID 174664757
2-[2-(1,1-difluoroethyl)phenyl]morpholine
CID 117326792
2-[3-(3-methoxyphenyl)phenyl]morpholine
CID 82092915
2-(3,4-dimethylphenyl)morpholine
CID 43169342

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,1-difluoroethyl)phenyl]morpholine?
The IUPAC name of 2-[3-(1,1-difluoroethyl)phenyl]morpholine (CID 117326793) is 2-[3-(1,1-difluoroethyl)phenyl]morpholine.
What is the SMILES notation for 2-[3-(1,1-difluoroethyl)phenyl]morpholine?
The canonical SMILES for 2-[3-(1,1-difluoroethyl)phenyl]morpholine is CC(F)(F)c1cccc(C2CNCCO2)c1.
What is the InChIKey of 2-[3-(1,1-difluoroethyl)phenyl]morpholine?
The InChIKey is IBWBUGNMMVWNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-12(13,14)10-4-2-3-9(7-10)11-8-15-5-6-16-11/h2-4,7,11,15H,5-6,8H2,1H3.
What are the key properties of 2-[3-(1,1-difluoroethyl)phenyl]morpholine?
2-[3-(1,1-difluoroethyl)phenyl]morpholine has a molecular weight of 227.25 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,1-difluoroethyl)phenyl]morpholine is sourced from PubChem (CID 117326793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).